USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 180:sc= 0.666 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 164:sc= 0.774 (180deg=0) USER MOD Set 2.1: A 68 MET CE :methyl -173:sc=-0.000392 (180deg=-0.00646) USER MOD Set 2.2: A 74 CYS SG : rot 116:sc= 0.369 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 162:sc= 1.03 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.881 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 149:sc= -1.29 (180deg=-3.25!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.91 (180deg=-0.972) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.12) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 3 (180deg=2.94) USER MOD Single : A 78 MET CE :methyl -138:sc= -0.126 (180deg=-0.289) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.857 USER MOD Single : A 109 THR OG1 : rot 93:sc= 1.47 USER MOD Single : A 110 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.42) USER MOD Single : A 118 TYR OH : rot -25:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -2.286 -8.310 13.256 1.00 0.00 N ATOM 281 CA ILE A 18 -3.137 -8.090 12.079 1.00 0.00 C ATOM 282 C ILE A 18 -4.016 -9.314 11.805 1.00 0.00 C ATOM 283 O ILE A 18 -5.224 -9.149 11.631 1.00 0.00 O ATOM 284 CB ILE A 18 -2.293 -7.676 10.844 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.330 -6.518 11.196 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.206 -7.260 9.674 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.542 -5.953 10.012 1.00 0.00 C ATOM 0 HA ILE A 18 -3.808 -7.257 12.291 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.703 -8.540 10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.906 -5.711 11.649 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.624 -6.868 11.950 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.594 -6.974 8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.847 -8.097 9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.824 -6.415 9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.105 -5.147 10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.066 -6.742 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.235 -5.567 9.264 1.00 0.00 H new ATOM 299 N ILE A 19 -3.458 -10.531 11.807 1.00 0.00 N ATOM 300 CA ILE A 19 -4.165 -11.725 11.335 1.00 0.00 C ATOM 301 C ILE A 19 -4.146 -12.890 12.345 1.00 0.00 C ATOM 302 O ILE A 19 -4.277 -14.046 11.953 1.00 0.00 O ATOM 303 CB ILE A 19 -3.636 -12.108 9.939 1.00 0.00 C ATOM 304 CG1 ILE A 19 -2.123 -12.375 10.006 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.968 -11.040 8.873 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.698 -13.388 8.961 1.00 0.00 C ATOM 0 H ILE A 19 -2.509 -10.714 12.134 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.225 -11.486 11.245 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.144 -13.022 9.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.579 -11.442 9.854 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.859 -12.740 10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.574 -11.356 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.049 -10.920 8.803 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.515 -10.090 9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.623 -13.556 9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.224 -14.327 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.940 -13.010 7.968 1.00 0.00 H new ATOM 318 N VAL A 20 -3.993 -12.611 13.641 1.00 0.00 N ATOM 319 CA VAL A 20 -3.858 -13.626 14.696 1.00 0.00 C ATOM 320 C VAL A 20 -4.927 -14.733 14.660 1.00 0.00 C ATOM 321 O VAL A 20 -4.611 -15.894 14.928 1.00 0.00 O ATOM 322 CB VAL A 20 -3.768 -12.919 16.066 1.00 0.00 C ATOM 323 CG1 VAL A 20 -5.105 -12.300 16.506 1.00 0.00 C ATOM 324 CG2 VAL A 20 -3.256 -13.862 17.161 1.00 0.00 C ATOM 0 H VAL A 20 -3.958 -11.656 13.997 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.933 -14.171 14.510 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.051 -12.110 15.929 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.981 -11.817 17.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.423 -11.561 15.771 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.860 -13.082 16.584 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.207 -13.326 18.109 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.934 -14.710 17.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.262 -14.221 16.896 1.00 0.00 H new ATOM 334 N ASP A 21 -6.173 -14.399 14.304 1.00 0.00 N ATOM 335 CA ASP A 21 -7.302 -15.342 14.264 1.00 0.00 C ATOM 336 C ASP A 21 -7.782 -15.576 12.815 1.00 0.00 C ATOM 337 O ASP A 21 -8.759 -16.301 12.549 1.00 0.00 O ATOM 338 CB ASP A 21 -8.428 -14.790 15.152 1.00 0.00 C ATOM 339 CG ASP A 21 -9.607 -15.767 15.299 1.00 0.00 C ATOM 340 OD1 ASP A 21 -9.400 -16.911 15.764 1.00 0.00 O ATOM 341 OD2 ASP A 21 -10.762 -15.373 15.019 1.00 0.00 O ATOM 0 H ASP A 21 -6.432 -13.451 14.031 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.986 -16.313 14.645 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.027 -14.562 16.139 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.790 -13.852 14.730 1.00 0.00 H new ATOM 346 N ALA A 22 -7.079 -14.937 11.870 1.00 0.00 N ATOM 347 CA ALA A 22 -7.461 -14.826 10.481 1.00 0.00 C ATOM 348 C ALA A 22 -6.579 -15.693 9.589 1.00 0.00 C ATOM 349 O ALA A 22 -5.353 -15.583 9.575 1.00 0.00 O ATOM 350 CB ALA A 22 -7.390 -13.369 10.030 1.00 0.00 C ATOM 0 H ALA A 22 -6.196 -14.469 12.074 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.487 -15.182 10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.680 -13.298 8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.068 -12.767 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.371 -13.000 10.150 1.00 0.00 H new ATOM 356 N GLU A 23 -7.246 -16.490 8.766 1.00 0.00 N ATOM 357 CA GLU A 23 -6.651 -17.254 7.673 1.00 0.00 C ATOM 358 C GLU A 23 -7.630 -17.319 6.499 1.00 0.00 C ATOM 359 O GLU A 23 -7.203 -17.388 5.345 1.00 0.00 O ATOM 360 CB GLU A 23 -6.297 -18.709 8.044 1.00 0.00 C ATOM 361 CG GLU A 23 -5.700 -19.009 9.428 1.00 0.00 C ATOM 362 CD GLU A 23 -6.800 -19.157 10.490 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.657 -20.064 10.388 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.902 -18.338 11.423 1.00 0.00 O ATOM 0 H GLU A 23 -8.254 -16.629 8.842 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.728 -16.732 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.206 -19.303 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.593 -19.075 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.111 -19.925 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.020 -18.207 9.715 1.00 0.00 H new ATOM 371 N ASP A 24 -8.938 -17.320 6.778 1.00 0.00 N ATOM 372 CA ASP A 24 -9.975 -17.447 5.782 1.00 0.00 C ATOM 373 C ASP A 24 -9.983 -16.103 5.050 1.00 0.00 C ATOM 374 O ASP A 24 -9.745 -15.062 5.671 1.00 0.00 O ATOM 375 CB ASP A 24 -11.299 -17.785 6.492 1.00 0.00 C ATOM 376 CG ASP A 24 -11.234 -19.094 7.321 1.00 0.00 C ATOM 377 OD1 ASP A 24 -10.890 -19.076 8.535 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.543 -20.167 6.752 1.00 0.00 O ATOM 0 H ASP A 24 -9.300 -17.230 7.727 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.818 -18.248 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.571 -16.960 7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.090 -17.874 5.747 1.00 0.00 H new ATOM 383 N LYS A 25 -10.220 -16.103 3.734 1.00 0.00 N ATOM 384 CA LYS A 25 -10.020 -14.906 2.905 1.00 0.00 C ATOM 385 C LYS A 25 -10.733 -13.660 3.434 1.00 0.00 C ATOM 386 O LYS A 25 -10.163 -12.571 3.400 1.00 0.00 O ATOM 387 CB LYS A 25 -10.326 -15.178 1.415 1.00 0.00 C ATOM 388 CG LYS A 25 -11.808 -15.239 0.990 1.00 0.00 C ATOM 389 CD LYS A 25 -12.618 -16.445 1.500 1.00 0.00 C ATOM 390 CE LYS A 25 -12.139 -17.804 0.957 1.00 0.00 C ATOM 391 NZ LYS A 25 -12.386 -17.966 -0.500 1.00 0.00 N ATOM 0 H LYS A 25 -10.551 -16.918 3.218 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.958 -14.672 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.839 -14.402 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.859 -16.125 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.299 -14.328 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.851 -15.234 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.572 -16.465 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.664 -16.306 1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.072 -17.912 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.645 -18.604 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.043 -18.898 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.406 -17.892 -0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.882 -17.222 -1.022 1.00 0.00 H new ATOM 405 N GLU A 26 -11.950 -13.824 3.957 1.00 0.00 N ATOM 406 CA GLU A 26 -12.735 -12.718 4.487 1.00 0.00 C ATOM 407 C GLU A 26 -12.063 -12.162 5.743 1.00 0.00 C ATOM 408 O GLU A 26 -11.976 -10.946 5.915 1.00 0.00 O ATOM 409 CB GLU A 26 -14.162 -13.196 4.807 1.00 0.00 C ATOM 410 CG GLU A 26 -14.941 -13.602 3.546 1.00 0.00 C ATOM 411 CD GLU A 26 -16.381 -14.026 3.885 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.607 -15.204 4.245 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.309 -13.192 3.774 1.00 0.00 O ATOM 0 H GLU A 26 -12.415 -14.729 4.023 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.792 -11.926 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.113 -14.044 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.701 -12.402 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.962 -12.767 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.426 -14.424 3.048 1.00 0.00 H new ATOM 420 N GLU A 27 -11.550 -13.036 6.612 1.00 0.00 N ATOM 421 CA GLU A 27 -10.928 -12.632 7.863 1.00 0.00 C ATOM 422 C GLU A 27 -9.615 -11.924 7.579 1.00 0.00 C ATOM 423 O GLU A 27 -9.350 -10.884 8.176 1.00 0.00 O ATOM 424 CB GLU A 27 -10.601 -13.848 8.729 1.00 0.00 C ATOM 425 CG GLU A 27 -11.777 -14.770 9.036 1.00 0.00 C ATOM 426 CD GLU A 27 -11.284 -16.012 9.782 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.156 -16.500 9.513 1.00 0.00 O ATOM 428 OE2 GLU A 27 -12.015 -16.523 10.661 1.00 0.00 O ATOM 0 H GLU A 27 -11.557 -14.045 6.462 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.629 -11.978 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.826 -14.430 8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.180 -13.498 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.516 -14.243 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.272 -15.064 8.110 1.00 0.00 H new ATOM 435 N ARG A 28 -8.782 -12.476 6.683 1.00 0.00 N ATOM 436 CA ARG A 28 -7.516 -11.838 6.340 1.00 0.00 C ATOM 437 C ARG A 28 -7.791 -10.454 5.763 1.00 0.00 C ATOM 438 O ARG A 28 -7.160 -9.495 6.206 1.00 0.00 O ATOM 439 CB ARG A 28 -6.706 -12.709 5.371 1.00 0.00 C ATOM 440 CG ARG A 28 -5.964 -13.858 6.072 1.00 0.00 C ATOM 441 CD ARG A 28 -5.165 -14.680 5.047 1.00 0.00 C ATOM 442 NE ARG A 28 -4.042 -15.414 5.667 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.673 -16.683 5.429 1.00 0.00 C ATOM 444 NH1 ARG A 28 -4.470 -17.519 4.770 1.00 0.00 N ATOM 445 NH2 ARG A 28 -2.495 -17.114 5.866 1.00 0.00 N ATOM 0 H ARG A 28 -8.965 -13.351 6.192 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.912 -11.725 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.376 -13.123 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.983 -12.084 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.292 -13.457 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.678 -14.501 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.831 -15.389 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.779 -14.016 4.274 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.486 -14.900 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.379 -17.200 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.172 -18.479 4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.879 -16.483 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.207 -18.076 5.690 1.00 0.00 H new ATOM 459 N ALA A 29 -8.756 -10.332 4.847 1.00 0.00 N ATOM 460 CA ALA A 29 -9.121 -9.050 4.271 1.00 0.00 C ATOM 461 C ALA A 29 -9.510 -8.060 5.376 1.00 0.00 C ATOM 462 O ALA A 29 -8.997 -6.943 5.392 1.00 0.00 O ATOM 463 CB ALA A 29 -10.244 -9.259 3.249 1.00 0.00 C ATOM 0 H ALA A 29 -9.299 -11.119 4.491 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.268 -8.616 3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.522 -8.300 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.899 -9.929 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.110 -9.697 3.745 1.00 0.00 H new ATOM 469 N MET A 30 -10.350 -8.469 6.334 1.00 0.00 N ATOM 470 CA MET A 30 -10.748 -7.611 7.450 1.00 0.00 C ATOM 471 C MET A 30 -9.582 -7.254 8.370 1.00 0.00 C ATOM 472 O MET A 30 -9.443 -6.087 8.729 1.00 0.00 O ATOM 473 CB MET A 30 -11.899 -8.242 8.240 1.00 0.00 C ATOM 474 CG MET A 30 -13.221 -8.245 7.461 1.00 0.00 C ATOM 475 SD MET A 30 -13.920 -6.621 7.033 1.00 0.00 S ATOM 476 CE MET A 30 -13.142 -6.277 5.427 1.00 0.00 C ATOM 0 H MET A 30 -10.769 -9.399 6.356 1.00 0.00 H new ATOM 0 HA MET A 30 -11.096 -6.674 7.015 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.635 -9.266 8.503 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.034 -7.698 9.175 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.071 -8.805 6.538 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.961 -8.790 8.048 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.818 -5.678 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.212 -5.730 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.929 -7.217 4.917 1.00 0.00 H new ATOM 486 N GLY A 31 -8.728 -8.213 8.731 1.00 0.00 N ATOM 487 CA GLY A 31 -7.591 -7.967 9.605 1.00 0.00 C ATOM 488 C GLY A 31 -6.677 -6.906 9.001 1.00 0.00 C ATOM 489 O GLY A 31 -6.344 -5.918 9.663 1.00 0.00 O ATOM 0 H GLY A 31 -8.810 -9.182 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.941 -7.640 10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.034 -8.892 9.758 1.00 0.00 H new ATOM 493 N TRP A 32 -6.333 -7.072 7.720 1.00 0.00 N ATOM 494 CA TRP A 32 -5.527 -6.101 7.001 1.00 0.00 C ATOM 495 C TRP A 32 -6.242 -4.751 6.914 1.00 0.00 C ATOM 496 O TRP A 32 -5.620 -3.733 7.207 1.00 0.00 O ATOM 497 CB TRP A 32 -5.145 -6.640 5.617 1.00 0.00 C ATOM 498 CG TRP A 32 -3.955 -7.550 5.651 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.971 -8.897 5.731 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.545 -7.177 5.668 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.682 -9.386 5.761 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.758 -8.361 5.790 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.857 -5.948 5.609 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.358 -8.315 5.888 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.454 -5.894 5.681 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.296 -7.074 5.827 1.00 0.00 C ATOM 0 H TRP A 32 -6.607 -7.881 7.162 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.603 -5.936 7.556 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.994 -7.177 5.195 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.936 -5.802 4.952 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.864 -9.504 5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.442 -10.377 5.762 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.418 -5.031 5.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.210 -9.225 6.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.050 -4.941 5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.373 -7.026 5.892 1.00 0.00 H new ATOM 517 N TYR A 33 -7.534 -4.730 6.570 1.00 0.00 N ATOM 518 CA TYR A 33 -8.334 -3.515 6.434 1.00 0.00 C ATOM 519 C TYR A 33 -8.311 -2.684 7.716 1.00 0.00 C ATOM 520 O TYR A 33 -8.061 -1.478 7.649 1.00 0.00 O ATOM 521 CB TYR A 33 -9.768 -3.914 6.040 1.00 0.00 C ATOM 522 CG TYR A 33 -10.875 -2.904 6.288 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.802 -1.605 5.754 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.008 -3.285 7.033 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.854 -0.696 5.964 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.057 -2.377 7.255 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.987 -1.074 6.716 1.00 0.00 C ATOM 528 OH TYR A 33 -13.993 -0.177 6.920 1.00 0.00 O ATOM 0 H TYR A 33 -8.063 -5.580 6.374 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.909 -2.884 5.654 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.768 -4.158 4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.021 -4.828 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.937 -1.305 5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.071 -4.284 7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.795 0.298 5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.916 -2.676 7.837 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.700 -0.594 7.456 1.00 0.00 H new ATOM 538 N TYR A 34 -8.533 -3.311 8.874 1.00 0.00 N ATOM 539 CA TYR A 34 -8.597 -2.605 10.145 1.00 0.00 C ATOM 540 C TYR A 34 -7.249 -1.947 10.455 1.00 0.00 C ATOM 541 O TYR A 34 -7.208 -0.769 10.810 1.00 0.00 O ATOM 542 CB TYR A 34 -8.985 -3.575 11.275 1.00 0.00 C ATOM 543 CG TYR A 34 -10.309 -4.327 11.175 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.364 -3.913 10.331 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.481 -5.472 11.980 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.576 -4.628 10.309 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.688 -6.193 11.960 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.746 -5.769 11.125 1.00 0.00 C ATOM 549 OH TYR A 34 -13.928 -6.448 11.097 1.00 0.00 O ATOM 0 H TYR A 34 -8.672 -4.318 8.951 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.358 -1.828 10.073 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.190 -4.316 11.362 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.996 -3.009 12.207 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.240 -3.045 9.701 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.675 -5.799 12.620 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.380 -4.303 9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.806 -7.069 12.581 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.883 -7.208 11.714 1.00 0.00 H new ATOM 559 N TYR A 35 -6.145 -2.686 10.304 1.00 0.00 N ATOM 560 CA TYR A 35 -4.810 -2.178 10.602 1.00 0.00 C ATOM 561 C TYR A 35 -4.394 -1.096 9.601 1.00 0.00 C ATOM 562 O TYR A 35 -3.808 -0.090 10.007 1.00 0.00 O ATOM 563 CB TYR A 35 -3.822 -3.353 10.588 1.00 0.00 C ATOM 564 CG TYR A 35 -2.367 -2.957 10.768 1.00 0.00 C ATOM 565 CD1 TYR A 35 -1.799 -2.879 12.054 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.579 -2.669 9.638 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.447 -2.521 12.209 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.236 -2.286 9.783 1.00 0.00 C ATOM 569 CZ TYR A 35 0.338 -2.213 11.073 1.00 0.00 C ATOM 570 OH TYR A 35 1.650 -1.872 11.224 1.00 0.00 O ATOM 0 H TYR A 35 -6.156 -3.650 9.972 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.810 -1.715 11.589 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.096 -4.050 11.380 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.926 -3.887 9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.402 -3.094 12.923 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.011 -2.743 8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.009 -2.481 13.195 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.357 -2.048 8.912 1.00 0.00 H new ATOM 0 HH TYR A 35 2.045 -1.692 10.345 1.00 0.00 H new ATOM 580 N LEU A 36 -4.694 -1.273 8.307 1.00 0.00 N ATOM 581 CA LEU A 36 -4.349 -0.300 7.285 1.00 0.00 C ATOM 582 C LEU A 36 -5.097 0.987 7.546 1.00 0.00 C ATOM 583 O LEU A 36 -4.421 2.008 7.640 1.00 0.00 O ATOM 584 CB LEU A 36 -4.634 -0.818 5.866 1.00 0.00 C ATOM 585 CG LEU A 36 -3.362 -1.256 5.119 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.463 -2.217 5.904 1.00 0.00 C ATOM 587 CD2 LEU A 36 -3.786 -1.937 3.815 1.00 0.00 C ATOM 0 H LEU A 36 -5.181 -2.095 7.950 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.276 -0.119 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.323 -1.661 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.134 -0.037 5.294 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.771 -0.356 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.591 -2.473 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.139 -1.739 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.019 -3.124 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.900 -2.257 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.405 -2.805 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.355 -1.235 3.206 1.00 0.00 H new ATOM 599 N ASP A 37 -6.430 0.963 7.734 1.00 0.00 N ATOM 600 CA ASP A 37 -7.114 2.204 8.092 1.00 0.00 C ATOM 601 C ASP A 37 -6.469 2.765 9.313 1.00 0.00 C ATOM 602 O ASP A 37 -6.185 3.965 9.319 1.00 0.00 O ATOM 603 CB ASP A 37 -8.611 2.115 8.447 1.00 0.00 C ATOM 604 CG ASP A 37 -9.170 3.502 8.917 1.00 0.00 C ATOM 605 OD1 ASP A 37 -8.814 4.048 10.004 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.002 4.060 8.169 1.00 0.00 O ATOM 0 H ASP A 37 -7.024 0.138 7.648 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.034 2.802 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.173 1.770 7.579 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.756 1.376 9.235 1.00 0.00 H new ATOM 611 N ASP A 38 -6.229 1.948 10.348 1.00 0.00 N ATOM 612 CA ASP A 38 -5.849 2.613 11.563 1.00 0.00 C ATOM 613 C ASP A 38 -4.526 3.359 11.438 1.00 0.00 C ATOM 614 O ASP A 38 -4.411 4.470 11.959 1.00 0.00 O ATOM 615 CB ASP A 38 -6.027 1.853 12.866 1.00 0.00 C ATOM 616 CG ASP A 38 -6.178 2.931 13.977 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.699 4.051 13.695 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.788 2.659 15.135 1.00 0.00 O ATOM 0 H ASP A 38 -6.287 0.930 10.362 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.626 3.370 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.906 1.210 12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.170 1.209 13.062 1.00 0.00 H new ATOM 623 N THR A 39 -3.630 2.842 10.602 1.00 0.00 N ATOM 624 CA THR A 39 -2.320 3.417 10.385 1.00 0.00 C ATOM 625 C THR A 39 -2.430 4.681 9.518 1.00 0.00 C ATOM 626 O THR A 39 -1.764 5.681 9.789 1.00 0.00 O ATOM 627 CB THR A 39 -1.448 2.330 9.737 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.413 1.162 10.535 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.025 2.838 9.549 1.00 0.00 C ATOM 0 H THR A 39 -3.803 2.000 10.052 1.00 0.00 H new ATOM 0 HA THR A 39 -1.861 3.733 11.322 1.00 0.00 H new ATOM 0 HB THR A 39 -1.888 2.088 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.211 0.621 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.582 2.058 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.035 3.717 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.398 3.103 10.518 1.00 0.00 H new ATOM 637 N LEU A 40 -3.273 4.646 8.484 1.00 0.00 N ATOM 638 CA LEU A 40 -3.551 5.767 7.600 1.00 0.00 C ATOM 639 C LEU A 40 -4.292 6.849 8.402 1.00 0.00 C ATOM 640 O LEU A 40 -5.219 6.561 9.174 1.00 0.00 O ATOM 641 CB LEU A 40 -4.405 5.264 6.416 1.00 0.00 C ATOM 642 CG LEU A 40 -3.739 4.172 5.540 1.00 0.00 C ATOM 643 CD1 LEU A 40 -4.758 3.386 4.707 1.00 0.00 C ATOM 644 CD2 LEU A 40 -2.712 4.729 4.558 1.00 0.00 C ATOM 0 H LEU A 40 -3.796 3.806 8.235 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.630 6.195 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.344 4.871 6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.655 6.114 5.781 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.248 3.523 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.239 2.634 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.470 2.895 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.291 4.069 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.284 3.912 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.197 5.437 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.920 5.236 5.109 1.00 0.00 H new ATOM 656 N GLU A 41 -3.923 8.111 8.188 1.00 0.00 N ATOM 657 CA GLU A 41 -4.517 9.270 8.850 1.00 0.00 C ATOM 658 C GLU A 41 -5.101 10.190 7.775 1.00 0.00 C ATOM 659 O GLU A 41 -4.631 11.301 7.523 1.00 0.00 O ATOM 660 CB GLU A 41 -3.510 9.931 9.807 1.00 0.00 C ATOM 661 CG GLU A 41 -3.231 9.062 11.046 1.00 0.00 C ATOM 662 CD GLU A 41 -4.450 8.954 11.987 1.00 0.00 C ATOM 663 OE1 GLU A 41 -4.598 9.810 12.889 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.269 8.013 11.847 1.00 0.00 O ATOM 0 H GLU A 41 -3.183 8.361 7.532 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.344 8.981 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.576 10.117 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.895 10.900 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.936 8.063 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.389 9.481 11.596 1.00 0.00 H new ATOM 671 N PHE A 42 -6.126 9.657 7.106 1.00 0.00 N ATOM 672 CA PHE A 42 -6.958 10.343 6.125 1.00 0.00 C ATOM 673 C PHE A 42 -7.596 11.631 6.696 1.00 0.00 C ATOM 674 O PHE A 42 -7.759 11.735 7.917 1.00 0.00 O ATOM 675 CB PHE A 42 -8.086 9.390 5.707 1.00 0.00 C ATOM 676 CG PHE A 42 -7.689 8.034 5.157 1.00 0.00 C ATOM 677 CD1 PHE A 42 -7.474 7.881 3.773 1.00 0.00 C ATOM 678 CD2 PHE A 42 -7.694 6.897 5.993 1.00 0.00 C ATOM 679 CE1 PHE A 42 -7.325 6.594 3.225 1.00 0.00 C ATOM 680 CE2 PHE A 42 -7.569 5.616 5.434 1.00 0.00 C ATOM 681 CZ PHE A 42 -7.398 5.464 4.050 1.00 0.00 C ATOM 0 H PHE A 42 -6.409 8.687 7.243 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.327 10.626 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.727 9.227 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.691 9.895 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.424 8.750 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.794 7.013 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.154 6.477 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.605 4.745 6.071 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.323 4.476 3.620 1.00 0.00 H new ATOM 691 N PRO A 43 -8.058 12.569 5.844 1.00 0.00 N ATOM 692 CA PRO A 43 -7.837 12.604 4.401 1.00 0.00 C ATOM 693 C PRO A 43 -6.381 12.973 4.096 1.00 0.00 C ATOM 694 O PRO A 43 -5.702 13.596 4.918 1.00 0.00 O ATOM 695 CB PRO A 43 -8.814 13.656 3.863 1.00 0.00 C ATOM 696 CG PRO A 43 -8.951 14.633 5.030 1.00 0.00 C ATOM 697 CD PRO A 43 -8.831 13.732 6.260 1.00 0.00 C ATOM 0 HA PRO A 43 -8.010 11.636 3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.426 14.147 2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.773 13.214 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.171 15.394 5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.907 15.156 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.336 14.255 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.816 13.435 6.621 1.00 0.00 H new ATOM 705 N PHE A 44 -5.901 12.600 2.911 1.00 0.00 N ATOM 706 CA PHE A 44 -4.571 12.964 2.434 1.00 0.00 C ATOM 707 C PHE A 44 -4.591 13.099 0.912 1.00 0.00 C ATOM 708 O PHE A 44 -5.495 12.591 0.256 1.00 0.00 O ATOM 709 CB PHE A 44 -3.527 11.940 2.909 1.00 0.00 C ATOM 710 CG PHE A 44 -3.647 10.525 2.364 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.074 10.213 1.119 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.250 9.499 3.117 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.127 8.909 0.606 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.284 8.184 2.618 1.00 0.00 C ATOM 715 CZ PHE A 44 -3.732 7.888 1.358 1.00 0.00 C ATOM 0 H PHE A 44 -6.430 12.031 2.250 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.285 13.928 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.539 12.320 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.574 11.889 3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.586 10.989 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.687 9.722 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.704 8.690 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.736 7.398 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.773 6.881 0.971 1.00 0.00 H new ATOM 725 N MET A 45 -3.611 13.785 0.329 1.00 0.00 N ATOM 726 CA MET A 45 -3.529 13.967 -1.117 1.00 0.00 C ATOM 727 C MET A 45 -2.751 12.796 -1.720 1.00 0.00 C ATOM 728 O MET A 45 -1.742 12.381 -1.147 1.00 0.00 O ATOM 729 CB MET A 45 -2.809 15.295 -1.378 1.00 0.00 C ATOM 730 CG MET A 45 -2.787 15.654 -2.860 1.00 0.00 C ATOM 731 SD MET A 45 -1.728 17.068 -3.238 1.00 0.00 S ATOM 732 CE MET A 45 -1.918 16.996 -5.029 1.00 0.00 C ATOM 0 H MET A 45 -2.852 14.230 0.846 1.00 0.00 H new ATOM 0 HA MET A 45 -4.518 13.993 -1.574 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.303 16.090 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.787 15.232 -1.005 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.445 14.790 -3.431 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.803 15.872 -3.189 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.182 17.648 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.766 15.972 -5.370 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.921 17.325 -5.302 1.00 0.00 H new ATOM 742 N GLY A 46 -3.140 12.292 -2.894 1.00 0.00 N ATOM 743 CA GLY A 46 -2.365 11.282 -3.587 1.00 0.00 C ATOM 744 C GLY A 46 -2.529 11.380 -5.092 1.00 0.00 C ATOM 745 O GLY A 46 -3.372 12.113 -5.611 1.00 0.00 O ATOM 0 H GLY A 46 -3.992 12.574 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.312 11.391 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.675 10.292 -3.251 1.00 0.00 H new ATOM 749 N LYS A 47 -1.692 10.636 -5.803 1.00 0.00 N ATOM 750 CA LYS A 47 -1.835 10.427 -7.234 1.00 0.00 C ATOM 751 C LYS A 47 -2.441 9.040 -7.415 1.00 0.00 C ATOM 752 O LYS A 47 -1.917 8.060 -6.880 1.00 0.00 O ATOM 753 CB LYS A 47 -0.457 10.522 -7.920 1.00 0.00 C ATOM 754 CG LYS A 47 -0.555 10.767 -9.434 1.00 0.00 C ATOM 755 CD LYS A 47 -0.964 12.204 -9.810 1.00 0.00 C ATOM 756 CE LYS A 47 0.137 13.236 -9.519 1.00 0.00 C ATOM 757 NZ LYS A 47 -0.177 14.564 -10.106 1.00 0.00 N ATOM 0 H LYS A 47 -0.888 10.157 -5.397 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.474 11.185 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.115 11.330 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.096 9.600 -7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.409 10.543 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.279 10.071 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.216 12.239 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.864 12.476 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.264 13.337 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.085 12.877 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.407 15.293 -9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.024 14.549 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.183 14.781 -9.955 1.00 0.00 H new ATOM 771 N TRP A 48 -3.546 8.950 -8.145 1.00 0.00 N ATOM 772 CA TRP A 48 -4.097 7.683 -8.583 1.00 0.00 C ATOM 773 C TRP A 48 -3.309 7.306 -9.836 1.00 0.00 C ATOM 774 O TRP A 48 -3.441 7.961 -10.873 1.00 0.00 O ATOM 775 CB TRP A 48 -5.607 7.820 -8.851 1.00 0.00 C ATOM 776 CG TRP A 48 -6.357 6.563 -9.197 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.831 5.325 -9.330 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.789 6.389 -9.437 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.809 4.415 -9.653 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.049 5.009 -9.708 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.900 7.260 -9.436 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.342 4.520 -9.946 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.202 6.780 -9.681 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.426 5.414 -9.926 1.00 0.00 C ATOM 0 H TRP A 48 -4.085 9.761 -8.449 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.005 6.902 -7.828 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.070 8.257 -7.966 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.743 8.531 -9.666 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.786 5.084 -9.200 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.637 3.425 -9.830 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.749 8.312 -9.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.502 3.470 -10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.035 7.467 -9.681 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.429 5.052 -10.098 1.00 0.00 H new ATOM 795 N LYS A 49 -2.463 6.279 -9.740 1.00 0.00 N ATOM 796 CA LYS A 49 -1.795 5.651 -10.879 1.00 0.00 C ATOM 797 C LYS A 49 -2.792 4.708 -11.566 1.00 0.00 C ATOM 798 O LYS A 49 -2.670 3.484 -11.489 1.00 0.00 O ATOM 799 CB LYS A 49 -0.515 4.941 -10.394 1.00 0.00 C ATOM 800 CG LYS A 49 0.640 5.944 -10.281 1.00 0.00 C ATOM 801 CD LYS A 49 1.914 5.297 -9.726 1.00 0.00 C ATOM 802 CE LYS A 49 3.109 6.209 -10.033 1.00 0.00 C ATOM 803 NZ LYS A 49 4.358 5.743 -9.385 1.00 0.00 N ATOM 0 H LYS A 49 -2.218 5.852 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.479 6.388 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.695 4.473 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.247 4.145 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.848 6.369 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.341 6.769 -9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.822 5.145 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.064 4.315 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.259 6.256 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.885 7.222 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.173 6.226 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.323 5.959 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.455 4.716 -9.517 1.00 0.00 H new ATOM 817 N LYS A 50 -3.843 5.275 -12.157 1.00 0.00 N ATOM 818 CA LYS A 50 -4.935 4.524 -12.765 1.00 0.00 C ATOM 819 C LYS A 50 -4.414 3.804 -14.011 1.00 0.00 C ATOM 820 O LYS A 50 -3.798 4.430 -14.870 1.00 0.00 O ATOM 821 CB LYS A 50 -6.083 5.502 -13.069 1.00 0.00 C ATOM 822 CG LYS A 50 -7.415 4.783 -13.328 1.00 0.00 C ATOM 823 CD LYS A 50 -8.579 5.788 -13.360 1.00 0.00 C ATOM 824 CE LYS A 50 -9.957 5.106 -13.352 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.300 4.454 -14.639 1.00 0.00 N ATOM 0 H LYS A 50 -3.959 6.286 -12.227 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.322 3.757 -12.094 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.202 6.189 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.823 6.103 -13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.366 4.246 -14.275 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.590 4.041 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.503 6.452 -12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.492 6.410 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.980 4.360 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.720 5.848 -13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.240 4.014 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.309 5.166 -15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.592 3.724 -14.858 1.00 0.00 H new ATOM 976 N GLU A 59 -1.727 5.957 -16.081 1.00 0.00 N ATOM 977 CA GLU A 59 -2.062 7.365 -16.196 1.00 0.00 C ATOM 978 C GLU A 59 -2.075 7.875 -14.752 1.00 0.00 C ATOM 979 O GLU A 59 -2.347 7.113 -13.821 1.00 0.00 O ATOM 980 CB GLU A 59 -3.430 7.522 -16.885 1.00 0.00 C ATOM 981 CG GLU A 59 -3.864 8.986 -17.039 1.00 0.00 C ATOM 982 CD GLU A 59 -5.152 9.109 -17.874 1.00 0.00 C ATOM 983 OE1 GLU A 59 -6.262 8.951 -17.318 1.00 0.00 O ATOM 984 OE2 GLU A 59 -5.066 9.394 -19.090 1.00 0.00 O ATOM 0 HA GLU A 59 -1.357 7.931 -16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.389 7.056 -17.870 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.184 6.985 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.025 9.424 -16.054 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.065 9.555 -17.515 1.00 0.00 H new ATOM 991 N GLU A 60 -1.763 9.151 -14.545 1.00 0.00 N ATOM 992 CA GLU A 60 -1.554 9.717 -13.222 1.00 0.00 C ATOM 993 C GLU A 60 -2.558 10.846 -13.032 1.00 0.00 C ATOM 994 O GLU A 60 -2.479 11.870 -13.718 1.00 0.00 O ATOM 995 CB GLU A 60 -0.096 10.188 -13.103 1.00 0.00 C ATOM 996 CG GLU A 60 0.836 8.986 -12.935 1.00 0.00 C ATOM 997 CD GLU A 60 2.309 9.415 -12.819 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.970 9.626 -13.861 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.825 9.528 -11.685 1.00 0.00 O ATOM 0 H GLU A 60 -1.648 9.826 -15.301 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.716 8.983 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.185 10.754 -13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.008 10.860 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.550 8.426 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.719 8.314 -13.785 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.507 10.657 -12.109 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.575 11.621 -11.850 1.00 0.00 C ATOM 1008 C LYS A 61 -4.513 12.047 -10.394 1.00 0.00 C ATOM 1009 O LYS A 61 -4.509 11.202 -9.502 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.940 11.003 -12.191 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.019 12.096 -12.239 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.387 11.567 -12.679 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.011 10.617 -11.645 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.469 10.475 -11.872 1.00 0.00 N ATOM 0 H LYS A 61 -3.554 9.826 -11.519 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.443 12.500 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.886 10.492 -13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.204 10.253 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.112 12.551 -11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.702 12.882 -12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.060 12.407 -12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.282 11.045 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.532 9.640 -11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.830 10.997 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.849 9.741 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.941 11.380 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.642 10.204 -12.861 1.00 0.00 H new ATOM 1028 N THR A 62 -4.425 13.344 -10.144 1.00 0.00 N ATOM 1029 CA THR A 62 -4.353 13.888 -8.800 1.00 0.00 C ATOM 1030 C THR A 62 -5.709 13.725 -8.107 1.00 0.00 C ATOM 1031 O THR A 62 -6.741 14.082 -8.682 1.00 0.00 O ATOM 1032 CB THR A 62 -3.925 15.356 -8.916 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.884 15.483 -9.875 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.377 15.852 -7.591 1.00 0.00 C ATOM 0 H THR A 62 -4.401 14.054 -10.876 1.00 0.00 H new ATOM 0 HA THR A 62 -3.623 13.358 -8.189 1.00 0.00 H new ATOM 0 HB THR A 62 -4.799 15.937 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.617 16.423 -9.945 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.077 16.895 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.147 15.766 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.513 15.251 -7.307 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.719 13.218 -6.873 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.927 12.993 -6.094 1.00 0.00 C ATOM 1044 C VAL A 63 -6.656 13.323 -4.617 1.00 0.00 C ATOM 1045 O VAL A 63 -5.519 13.339 -4.146 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.453 11.546 -6.255 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.814 11.185 -7.707 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.475 10.477 -5.737 1.00 0.00 C ATOM 0 H VAL A 63 -4.867 12.948 -6.381 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.707 13.655 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.355 11.539 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.175 10.157 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.593 11.858 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.930 11.284 -8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.908 9.487 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.536 10.546 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.287 10.640 -4.676 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.724 13.574 -3.876 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.734 13.686 -2.426 1.00 0.00 C ATOM 1060 C GLU A 64 -8.328 12.367 -1.927 1.00 0.00 C ATOM 1061 O GLU A 64 -9.475 12.049 -2.228 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.546 14.917 -1.989 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.434 15.138 -0.474 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.122 16.445 -0.040 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.356 16.455 0.169 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.429 17.477 0.114 1.00 0.00 O ATOM 0 H GLU A 64 -8.647 13.711 -4.287 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.741 13.837 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.187 15.800 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.592 14.784 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.886 14.297 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.383 15.166 -0.186 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.534 11.555 -1.242 1.00 0.00 N ATOM 1074 CA VAL A 65 -7.938 10.277 -0.672 1.00 0.00 C ATOM 1075 C VAL A 65 -8.688 10.597 0.620 1.00 0.00 C ATOM 1076 O VAL A 65 -8.173 11.298 1.494 1.00 0.00 O ATOM 1077 CB VAL A 65 -6.697 9.386 -0.450 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.124 7.943 -0.160 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -5.769 9.370 -1.679 1.00 0.00 C ATOM 0 H VAL A 65 -6.555 11.777 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.593 9.712 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.157 9.808 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.239 7.326 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.743 7.920 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.694 7.555 -1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.909 8.731 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.314 8.985 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.426 10.383 -1.889 1.00 0.00 H new ATOM 1089 N LEU A 66 -9.912 10.085 0.732 1.00 0.00 N ATOM 1090 CA LEU A 66 -10.857 10.483 1.771 1.00 0.00 C ATOM 1091 C LEU A 66 -10.905 9.518 2.949 1.00 0.00 C ATOM 1092 O LEU A 66 -11.216 9.934 4.066 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.261 10.579 1.145 1.00 0.00 C ATOM 1094 CG LEU A 66 -12.326 11.370 -0.176 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.755 11.357 -0.710 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -11.802 12.802 -0.028 1.00 0.00 C ATOM 0 H LEU A 66 -10.278 9.375 0.097 1.00 0.00 H new ATOM 0 HA LEU A 66 -10.521 11.443 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.634 9.570 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.934 11.045 1.865 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.669 10.879 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.799 11.917 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.067 10.328 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.421 11.817 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.870 13.315 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.401 13.334 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.762 12.777 0.297 1.00 0.00 H new ATOM 1108 N GLY A 67 -10.630 8.239 2.706 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.798 7.175 3.674 1.00 0.00 C ATOM 1110 C GLY A 67 -10.797 5.850 2.934 1.00 0.00 C ATOM 1111 O GLY A 67 -10.898 5.820 1.703 1.00 0.00 O ATOM 0 H GLY A 67 -10.276 7.913 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.993 7.200 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.732 7.303 4.221 1.00 0.00 H new ATOM 1115 N MET A 68 -10.688 4.751 3.675 1.00 0.00 N ATOM 1116 CA MET A 68 -10.907 3.429 3.103 1.00 0.00 C ATOM 1117 C MET A 68 -12.368 3.348 2.648 1.00 0.00 C ATOM 1118 O MET A 68 -13.250 4.002 3.217 1.00 0.00 O ATOM 1119 CB MET A 68 -10.606 2.308 4.111 1.00 0.00 C ATOM 1120 CG MET A 68 -9.137 2.193 4.539 1.00 0.00 C ATOM 1121 SD MET A 68 -7.947 1.696 3.259 1.00 0.00 S ATOM 1122 CE MET A 68 -8.269 -0.086 3.170 1.00 0.00 C ATOM 0 H MET A 68 -10.451 4.750 4.667 1.00 0.00 H new ATOM 0 HA MET A 68 -10.227 3.289 2.262 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.216 2.467 5.000 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.917 1.358 3.677 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.823 3.157 4.939 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.077 1.474 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.533 -0.557 2.519 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.200 -0.519 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.269 -0.256 2.770 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.623 2.530 1.629 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.974 2.175 1.214 1.00 0.00 C ATOM 1134 C ALA A 69 -14.698 1.412 2.346 1.00 0.00 C ATOM 1135 O ALA A 69 -14.048 0.999 3.312 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.868 1.339 -0.062 1.00 0.00 C ATOM 0 H ALA A 69 -11.893 2.094 1.066 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.565 3.067 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.866 1.058 -0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.375 1.923 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.286 0.439 0.140 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.025 1.199 2.250 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.755 0.343 3.178 1.00 0.00 C ATOM 1144 C PRO A 70 -16.115 -1.041 3.329 1.00 0.00 C ATOM 1145 O PRO A 70 -15.467 -1.551 2.408 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.176 0.239 2.614 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.338 1.542 1.836 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.939 1.767 1.269 1.00 0.00 C ATOM 0 HA PRO A 70 -16.745 0.769 4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.291 -0.632 1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.918 0.148 3.407 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.085 1.453 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.651 2.363 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.826 1.281 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.743 2.829 1.118 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.371 -1.689 4.466 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.916 -3.047 4.739 1.00 0.00 C ATOM 1158 C ASP A 71 -16.367 -4.044 3.670 1.00 0.00 C ATOM 1159 O ASP A 71 -15.634 -4.987 3.391 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.368 -3.516 6.128 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.812 -4.050 6.153 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.758 -3.233 6.093 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.010 -5.279 6.274 1.00 0.00 O ATOM 0 H ASP A 71 -16.907 -1.278 5.231 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.827 -3.016 4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.693 -4.298 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.283 -2.686 6.829 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.517 -3.825 3.021 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.987 -4.719 1.961 1.00 0.00 C ATOM 1170 C ASP A 72 -17.016 -4.736 0.783 1.00 0.00 C ATOM 1171 O ASP A 72 -16.783 -5.782 0.178 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.383 -4.325 1.469 1.00 0.00 C ATOM 1173 CG ASP A 72 -19.893 -5.345 0.434 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.453 -6.387 0.843 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -19.752 -5.111 -0.788 1.00 0.00 O ATOM 0 H ASP A 72 -18.137 -3.038 3.212 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.040 -5.719 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.073 -4.276 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.352 -3.330 1.024 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.410 -3.591 0.473 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.394 -3.491 -0.570 1.00 0.00 C ATOM 1182 C GLU A 73 -14.073 -4.018 -0.023 1.00 0.00 C ATOM 1183 O GLU A 73 -13.382 -4.775 -0.706 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.249 -2.037 -1.052 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.485 -1.503 -1.793 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.688 -2.164 -3.170 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.081 -3.351 -3.229 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.481 -1.488 -4.204 1.00 0.00 O ATOM 0 H GLU A 73 -16.611 -2.706 0.939 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.694 -4.091 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.048 -1.398 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.384 -1.967 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.371 -1.671 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.387 -0.425 -1.923 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.753 -3.695 1.233 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.496 -4.094 1.849 1.00 0.00 C ATOM 1197 C CYS A 74 -12.401 -5.590 2.173 1.00 0.00 C ATOM 1198 O CYS A 74 -11.378 -6.040 2.684 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.164 -3.192 3.037 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.088 -1.468 2.466 1.00 0.00 S ATOM 0 H CYS A 74 -14.360 -3.151 1.846 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.720 -3.946 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.921 -3.298 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.211 -3.485 3.478 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.027 -0.778 3.042 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.445 -6.364 1.871 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.450 -7.827 1.904 1.00 0.00 C ATOM 1208 C LEU A 75 -12.853 -8.394 0.613 1.00 0.00 C ATOM 1209 O LEU A 75 -12.451 -9.557 0.583 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.896 -8.348 2.025 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.442 -8.389 3.461 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.959 -8.588 3.426 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.808 -9.528 4.268 1.00 0.00 C ATOM 0 H LEU A 75 -14.344 -5.974 1.586 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.857 -8.145 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.548 -7.717 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.943 -9.352 1.603 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.193 -7.443 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.346 -8.617 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.422 -7.762 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.191 -9.527 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.216 -9.529 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.028 -10.481 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.728 -9.385 4.313 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.831 -7.600 -0.461 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.495 -8.051 -1.807 1.00 0.00 C ATOM 1227 C LYS A 76 -11.050 -7.679 -2.114 1.00 0.00 C ATOM 1228 O LYS A 76 -10.298 -8.509 -2.624 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.444 -7.415 -2.845 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.943 -7.571 -2.527 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.808 -7.045 -3.687 1.00 0.00 C ATOM 1232 CE LYS A 76 -17.310 -7.024 -3.356 1.00 0.00 C ATOM 1233 NZ LYS A 76 -17.663 -5.919 -2.437 1.00 0.00 N ATOM 0 H LYS A 76 -13.052 -6.605 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.611 -9.133 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.212 -6.353 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.245 -7.860 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.173 -8.621 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.184 -7.028 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.485 -6.037 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.644 -7.668 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.882 -6.925 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.595 -7.975 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.657 -6.013 -2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.052 -5.958 -1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.528 -5.008 -2.921 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.658 -6.448 -1.784 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.309 -5.903 -1.958 1.00 0.00 C ATOM 1249 C ASP A 77 -9.220 -4.648 -1.084 1.00 0.00 C ATOM 1250 O ASP A 77 -10.245 -4.192 -0.581 1.00 0.00 O ATOM 1251 CB ASP A 77 -9.057 -5.552 -3.438 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.584 -5.254 -3.775 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.702 -5.399 -2.901 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.311 -4.908 -4.947 1.00 0.00 O ATOM 0 H ASP A 77 -11.300 -5.772 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.554 -6.632 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.400 -6.379 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.661 -4.684 -3.702 1.00 0.00 H new ATOM 1259 N MET A 78 -8.043 -4.063 -0.879 1.00 0.00 N ATOM 1260 CA MET A 78 -7.933 -2.796 -0.162 1.00 0.00 C ATOM 1261 C MET A 78 -8.371 -1.673 -1.105 1.00 0.00 C ATOM 1262 O MET A 78 -7.766 -1.482 -2.163 1.00 0.00 O ATOM 1263 CB MET A 78 -6.498 -2.583 0.339 1.00 0.00 C ATOM 1264 CG MET A 78 -6.080 -3.604 1.405 1.00 0.00 C ATOM 1265 SD MET A 78 -7.087 -3.661 2.918 1.00 0.00 S ATOM 1266 CE MET A 78 -8.126 -5.107 2.560 1.00 0.00 C ATOM 0 H MET A 78 -7.153 -4.445 -1.199 1.00 0.00 H new ATOM 0 HA MET A 78 -8.578 -2.801 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.811 -2.645 -0.505 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.408 -1.578 0.751 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.092 -4.595 0.951 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.049 -3.396 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.152 -4.902 2.865 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.101 -5.317 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.749 -5.970 3.109 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.394 -0.906 -0.717 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.982 0.160 -1.523 1.00 0.00 C ATOM 1278 C TYR A 79 -10.079 1.437 -0.694 1.00 0.00 C ATOM 1279 O TYR A 79 -10.192 1.385 0.532 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.403 -0.231 -1.966 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.546 -1.161 -3.150 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.567 -0.631 -4.453 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.805 -2.527 -2.945 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.848 -1.463 -5.549 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -12.066 -3.371 -4.036 1.00 0.00 C ATOM 1286 CZ TYR A 79 -12.088 -2.841 -5.346 1.00 0.00 C ATOM 1287 OH TYR A 79 -12.331 -3.641 -6.422 1.00 0.00 O ATOM 0 H TYR A 79 -9.846 -1.015 0.191 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.350 0.319 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.903 -0.694 -1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.946 0.686 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.367 0.418 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.803 -2.930 -1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.881 -1.050 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.250 -4.423 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.476 -4.562 -6.119 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.115 2.575 -1.381 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.161 3.906 -0.801 1.00 0.00 C ATOM 1299 C VAL A 80 -11.109 4.757 -1.635 1.00 0.00 C ATOM 1300 O VAL A 80 -11.132 4.642 -2.861 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.747 4.525 -0.739 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -7.945 3.977 0.444 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.916 4.316 -2.018 1.00 0.00 C ATOM 0 H VAL A 80 -10.113 2.591 -2.401 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.528 3.857 0.224 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.924 5.594 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.956 4.435 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.464 4.209 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.844 2.896 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.937 4.779 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.792 3.249 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.430 4.772 -2.864 1.00 0.00 H new ATOM 1313 N GLU A 81 -11.901 5.597 -0.975 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.701 6.617 -1.633 1.00 0.00 C ATOM 1315 C GLU A 81 -11.770 7.786 -1.938 1.00 0.00 C ATOM 1316 O GLU A 81 -10.933 8.146 -1.102 1.00 0.00 O ATOM 1317 CB GLU A 81 -13.850 7.074 -0.722 1.00 0.00 C ATOM 1318 CG GLU A 81 -14.876 5.958 -0.485 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.097 6.472 0.299 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.054 6.515 1.549 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.122 6.825 -0.328 1.00 0.00 O ATOM 0 H GLU A 81 -12.004 5.586 0.040 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.147 6.225 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.445 7.403 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.347 7.934 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.202 5.552 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.407 5.142 0.064 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.911 8.391 -3.114 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.023 9.454 -3.568 1.00 0.00 C ATOM 1330 C VAL A 82 -11.843 10.514 -4.297 1.00 0.00 C ATOM 1331 O VAL A 82 -12.749 10.174 -5.054 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.879 8.878 -4.446 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.073 7.773 -3.747 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.337 8.310 -5.800 1.00 0.00 C ATOM 0 H VAL A 82 -12.647 8.156 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.543 9.928 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.256 9.756 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.290 7.415 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.620 8.172 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.736 6.947 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.474 7.930 -6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.046 7.499 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.816 9.098 -6.382 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.531 11.790 -4.089 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.187 12.912 -4.739 1.00 0.00 C ATOM 1346 C ALA A 83 -11.196 13.460 -5.745 1.00 0.00 C ATOM 1347 O ALA A 83 -10.004 13.550 -5.464 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.580 13.992 -3.728 1.00 0.00 C ATOM 0 H ALA A 83 -10.794 12.076 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.110 12.591 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.068 14.816 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.265 13.570 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.687 14.360 -3.223 1.00 0.00 H new ATOM 1354 N ASP A 84 -11.666 13.789 -6.934 1.00 0.00 N ATOM 1355 CA ASP A 84 -10.786 14.194 -8.018 1.00 0.00 C ATOM 1356 C ASP A 84 -10.268 15.615 -7.773 1.00 0.00 C ATOM 1357 O ASP A 84 -11.016 16.466 -7.280 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.593 14.105 -9.316 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.719 13.862 -10.542 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.603 14.415 -10.620 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.169 13.103 -11.429 1.00 0.00 O ATOM 0 H ASP A 84 -12.657 13.784 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.913 13.545 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.322 13.299 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.154 15.029 -9.453 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.002 15.868 -8.114 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.413 17.209 -8.151 1.00 0.00 C ATOM 1368 C ILE A 85 -7.759 17.477 -9.526 1.00 0.00 C ATOM 1369 O ILE A 85 -7.555 18.638 -9.887 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.372 17.428 -7.016 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.637 16.690 -5.684 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.256 18.929 -6.694 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.482 16.858 -4.684 1.00 0.00 C ATOM 0 H ILE A 85 -8.345 15.133 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.226 17.917 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.456 17.001 -7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.558 17.068 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.791 15.629 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.525 19.075 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.935 19.469 -7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.225 19.308 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.716 16.321 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.566 16.456 -5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.344 17.916 -4.462 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.255 12.136 -7.187 1.00 0.00 N ATOM 1458 CA VAL A 92 -15.661 11.193 -6.244 1.00 0.00 C ATOM 1459 C VAL A 92 -15.772 9.787 -6.846 1.00 0.00 C ATOM 1460 O VAL A 92 -16.723 9.468 -7.566 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.342 11.288 -4.853 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -15.587 10.529 -3.748 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.511 12.738 -4.360 1.00 0.00 C ATOM 0 HA VAL A 92 -14.610 11.433 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.316 10.829 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.119 10.638 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.525 9.473 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.582 10.938 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.993 12.736 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.533 13.212 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -17.127 13.293 -5.067 1.00 0.00 H new ATOM 1473 N TYR A 93 -14.783 8.957 -6.531 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.570 7.621 -7.058 1.00 0.00 C ATOM 1475 C TYR A 93 -14.097 6.711 -5.917 1.00 0.00 C ATOM 1476 O TYR A 93 -13.904 7.150 -4.780 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.494 7.680 -8.161 1.00 0.00 C ATOM 1478 CG TYR A 93 -13.785 8.567 -9.360 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -13.398 9.923 -9.350 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.373 8.016 -10.515 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -13.589 10.720 -10.493 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.557 8.807 -11.664 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.154 10.161 -11.661 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.267 10.905 -12.796 1.00 0.00 O ATOM 0 H TYR A 93 -14.064 9.220 -5.857 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.495 7.228 -7.479 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.562 8.018 -7.708 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.323 6.666 -8.523 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.954 10.350 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.684 6.982 -10.519 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.303 11.761 -10.478 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.006 8.379 -12.548 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.676 10.363 -13.503 1.00 0.00 H new ATOM 1494 N THR A 94 -13.847 5.452 -6.258 1.00 0.00 N ATOM 1495 CA THR A 94 -13.191 4.483 -5.394 1.00 0.00 C ATOM 1496 C THR A 94 -12.041 3.890 -6.212 1.00 0.00 C ATOM 1497 O THR A 94 -12.207 3.603 -7.402 1.00 0.00 O ATOM 1498 CB THR A 94 -14.191 3.423 -4.887 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.447 4.001 -4.567 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.680 2.725 -3.624 1.00 0.00 C ATOM 0 H THR A 94 -14.103 5.069 -7.168 1.00 0.00 H new ATOM 0 HA THR A 94 -12.797 4.945 -4.489 1.00 0.00 H new ATOM 0 HB THR A 94 -14.300 2.705 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.057 3.303 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.410 1.985 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.734 2.229 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.532 3.463 -2.835 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.880 3.733 -5.581 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.654 3.241 -6.191 1.00 0.00 C ATOM 1510 C ALA A 95 -9.088 2.148 -5.291 1.00 0.00 C ATOM 1511 O ALA A 95 -9.410 2.092 -4.102 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.659 4.402 -6.334 1.00 0.00 C ATOM 0 H ALA A 95 -10.766 3.955 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.845 2.832 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.739 4.038 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.094 5.179 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.437 4.814 -5.350 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.236 1.277 -5.835 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.486 0.344 -5.007 1.00 0.00 C ATOM 1520 C LYS A 96 -6.474 1.180 -4.231 1.00 0.00 C ATOM 1521 O LYS A 96 -5.880 2.101 -4.791 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.731 -0.726 -5.832 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.347 -1.163 -7.170 1.00 0.00 C ATOM 1524 CD LYS A 96 -8.644 -1.962 -7.016 1.00 0.00 C ATOM 1525 CE LYS A 96 -9.280 -2.133 -8.402 1.00 0.00 C ATOM 1526 NZ LYS A 96 -10.285 -3.225 -8.450 1.00 0.00 N ATOM 0 H LYS A 96 -8.052 1.202 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.178 -0.198 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.728 -0.349 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.620 -1.613 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.545 -0.278 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.621 -1.766 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.438 -2.936 -6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.330 -1.444 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.755 -1.197 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.497 -2.336 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.867 -3.124 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.798 -4.144 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.894 -3.173 -7.609 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.199 0.820 -2.984 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.072 1.395 -2.247 1.00 0.00 C ATOM 1542 C LEU A 97 -3.778 1.072 -3.017 1.00 0.00 C ATOM 1543 O LEU A 97 -2.848 1.872 -3.048 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.027 0.818 -0.822 1.00 0.00 C ATOM 1545 CG LEU A 97 -3.919 1.427 0.065 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.160 2.915 0.349 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -3.865 0.675 1.396 1.00 0.00 C ATOM 0 H LEU A 97 -6.739 0.133 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.182 2.476 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.993 0.982 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.879 -0.260 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.977 1.333 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.356 3.301 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.183 3.466 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.113 3.037 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.084 1.103 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.826 0.762 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.647 -0.377 1.211 1.00 0.00 H new ATOM 1559 N SER A 98 -3.759 -0.076 -3.703 1.00 0.00 N ATOM 1560 CA SER A 98 -2.691 -0.538 -4.583 1.00 0.00 C ATOM 1561 C SER A 98 -2.437 0.422 -5.755 1.00 0.00 C ATOM 1562 O SER A 98 -1.329 0.487 -6.285 1.00 0.00 O ATOM 1563 CB SER A 98 -3.119 -1.903 -5.143 1.00 0.00 C ATOM 1564 OG SER A 98 -3.837 -2.652 -4.172 1.00 0.00 O ATOM 0 H SER A 98 -4.532 -0.740 -3.653 1.00 0.00 H new ATOM 0 HA SER A 98 -1.766 -0.596 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.740 -1.758 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.238 -2.462 -5.460 1.00 0.00 H new ATOM 0 HG SER A 98 -4.099 -3.516 -4.554 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.475 1.151 -6.170 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.485 2.031 -7.334 1.00 0.00 C ATOM 1572 C ASP A 99 -3.076 3.454 -6.953 1.00 0.00 C ATOM 1573 O ASP A 99 -2.993 4.332 -7.809 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.904 2.035 -7.937 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.995 1.319 -9.282 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.501 0.172 -9.372 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -5.636 1.869 -10.207 1.00 0.00 O ATOM 0 H ASP A 99 -4.370 1.142 -5.680 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.765 1.663 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.590 1.561 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.235 3.066 -8.060 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.837 3.698 -5.669 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.644 5.018 -5.097 1.00 0.00 C ATOM 1584 C ILE A 100 -1.207 5.143 -4.626 1.00 0.00 C ATOM 1585 O ILE A 100 -0.570 4.190 -4.171 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.692 5.245 -3.978 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.025 5.638 -4.639 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.307 6.243 -2.866 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.209 7.108 -4.998 1.00 0.00 C ATOM 0 H ILE A 100 -2.771 2.952 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.803 5.804 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.766 4.300 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.139 5.050 -5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.834 5.348 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.121 6.315 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.405 5.896 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.123 7.224 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.188 7.251 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.139 7.715 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.432 7.411 -5.700 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.736 6.377 -4.715 1.00 0.00 N ATOM 1602 CA GLU A 101 0.548 6.813 -4.196 1.00 0.00 C ATOM 1603 C GLU A 101 0.287 8.117 -3.445 1.00 0.00 C ATOM 1604 O GLU A 101 -0.217 9.072 -4.036 1.00 0.00 O ATOM 1605 CB GLU A 101 1.532 6.970 -5.368 1.00 0.00 C ATOM 1606 CG GLU A 101 2.953 7.275 -4.881 1.00 0.00 C ATOM 1607 CD GLU A 101 3.940 7.371 -6.056 1.00 0.00 C ATOM 1608 OE1 GLU A 101 4.245 6.331 -6.683 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.433 8.483 -6.354 1.00 0.00 O ATOM 0 H GLU A 101 -1.257 7.128 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 101 1.002 6.097 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.539 6.056 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.192 7.772 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.955 8.212 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.279 6.495 -4.193 1.00 0.00 H new ATOM 1616 N ALA A 102 0.557 8.159 -2.138 1.00 0.00 N ATOM 1617 CA ALA A 102 0.321 9.365 -1.352 1.00 0.00 C ATOM 1618 C ALA A 102 1.383 10.413 -1.670 1.00 0.00 C ATOM 1619 O ALA A 102 2.531 10.082 -1.979 1.00 0.00 O ATOM 1620 CB ALA A 102 0.349 9.061 0.144 1.00 0.00 C ATOM 0 H ALA A 102 0.937 7.375 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.666 9.747 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.170 9.978 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.427 8.333 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.323 8.654 0.414 1.00 0.00 H new ATOM 1626 N ILE A 103 1.002 11.677 -1.515 1.00 0.00 N ATOM 1627 CA ILE A 103 1.861 12.829 -1.747 1.00 0.00 C ATOM 1628 C ILE A 103 1.977 13.591 -0.426 1.00 0.00 C ATOM 1629 O ILE A 103 0.967 13.933 0.192 1.00 0.00 O ATOM 1630 CB ILE A 103 1.273 13.704 -2.881 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.127 12.933 -4.217 1.00 0.00 C ATOM 1632 CG2 ILE A 103 2.148 14.949 -3.110 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.200 13.644 -5.211 1.00 0.00 C ATOM 0 H ILE A 103 0.061 11.933 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 103 2.857 12.526 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 103 0.276 14.000 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.111 12.808 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.740 11.934 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.720 15.552 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.189 15.538 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.155 14.640 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.134 13.060 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.793 13.745 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.599 14.633 -5.438 1.00 0.00 H new ATOM 1645 N ASP A 104 3.224 13.886 -0.039 1.00 0.00 N ATOM 1646 CA ASP A 104 3.597 14.734 1.099 1.00 0.00 C ATOM 1647 C ASP A 104 2.845 14.379 2.395 1.00 0.00 C ATOM 1648 O ASP A 104 2.413 15.254 3.150 1.00 0.00 O ATOM 1649 CB ASP A 104 3.486 16.216 0.701 1.00 0.00 C ATOM 1650 CG ASP A 104 4.074 17.165 1.763 1.00 0.00 C ATOM 1651 OD1 ASP A 104 5.193 16.914 2.265 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.449 18.210 2.058 1.00 0.00 O ATOM 0 H ASP A 104 4.038 13.523 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 104 4.640 14.536 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.003 16.373 -0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 104 2.438 16.466 0.537 1.00 0.00 H new ATOM 1657 N VAL A 105 2.634 13.080 2.630 1.00 0.00 N ATOM 1658 CA VAL A 105 1.828 12.588 3.747 1.00 0.00 C ATOM 1659 C VAL A 105 2.708 12.282 4.972 1.00 0.00 C ATOM 1660 O VAL A 105 3.940 12.352 4.900 1.00 0.00 O ATOM 1661 CB VAL A 105 0.952 11.416 3.255 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.678 10.064 3.173 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.336 11.315 4.073 1.00 0.00 C ATOM 0 H VAL A 105 3.020 12.338 2.046 1.00 0.00 H new ATOM 0 HA VAL A 105 1.141 13.357 4.101 1.00 0.00 H new ATOM 0 HB VAL A 105 0.697 11.657 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.986 9.300 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.517 10.143 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.047 9.789 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.935 10.482 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.089 11.151 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.903 12.241 3.975 1.00 0.00 H new ATOM 1673 N ASP A 106 2.076 11.971 6.109 1.00 0.00 N ATOM 1674 CA ASP A 106 2.769 11.609 7.342 1.00 0.00 C ATOM 1675 C ASP A 106 3.429 10.233 7.214 1.00 0.00 C ATOM 1676 O ASP A 106 3.028 9.404 6.394 1.00 0.00 O ATOM 1677 CB ASP A 106 1.824 11.668 8.558 1.00 0.00 C ATOM 1678 CG ASP A 106 1.531 10.291 9.177 1.00 0.00 C ATOM 1679 OD1 ASP A 106 0.662 9.570 8.641 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.189 9.936 10.180 1.00 0.00 O ATOM 0 H ASP A 106 1.060 11.965 6.196 1.00 0.00 H new ATOM 0 HA ASP A 106 3.557 12.343 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.264 12.313 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.884 12.128 8.255 1.00 0.00 H new ATOM 1685 N ASP A 107 4.432 9.989 8.057 1.00 0.00 N ATOM 1686 CA ASP A 107 5.239 8.779 8.015 1.00 0.00 C ATOM 1687 C ASP A 107 4.408 7.503 8.153 1.00 0.00 C ATOM 1688 O ASP A 107 4.670 6.542 7.435 1.00 0.00 O ATOM 1689 CB ASP A 107 6.308 8.830 9.109 1.00 0.00 C ATOM 1690 CG ASP A 107 7.174 7.560 9.104 1.00 0.00 C ATOM 1691 OD1 ASP A 107 8.038 7.420 8.209 1.00 0.00 O ATOM 1692 OD2 ASP A 107 7.041 6.731 10.033 1.00 0.00 O ATOM 0 H ASP A 107 4.707 10.636 8.796 1.00 0.00 H new ATOM 0 HA ASP A 107 5.710 8.743 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.941 9.705 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.830 8.943 10.082 1.00 0.00 H new ATOM 1697 N ASP A 108 3.392 7.477 9.024 1.00 0.00 N ATOM 1698 CA ASP A 108 2.591 6.271 9.235 1.00 0.00 C ATOM 1699 C ASP A 108 1.732 5.988 8.004 1.00 0.00 C ATOM 1700 O ASP A 108 1.695 4.852 7.531 1.00 0.00 O ATOM 1701 CB ASP A 108 1.703 6.374 10.486 1.00 0.00 C ATOM 1702 CG ASP A 108 2.460 6.026 11.776 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.827 4.844 11.966 1.00 0.00 O ATOM 1704 OD2 ASP A 108 2.669 6.918 12.629 1.00 0.00 O ATOM 0 H ASP A 108 3.108 8.276 9.591 1.00 0.00 H new ATOM 0 HA ASP A 108 3.284 5.445 9.395 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.306 7.386 10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.850 5.705 10.378 1.00 0.00 H new ATOM 1709 N THR A 109 1.079 7.008 7.443 1.00 0.00 N ATOM 1710 CA THR A 109 0.285 6.862 6.232 1.00 0.00 C ATOM 1711 C THR A 109 1.173 6.367 5.084 1.00 0.00 C ATOM 1712 O THR A 109 0.795 5.427 4.379 1.00 0.00 O ATOM 1713 CB THR A 109 -0.429 8.194 5.929 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.154 8.625 7.065 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.454 8.088 4.800 1.00 0.00 C ATOM 0 H THR A 109 1.089 7.956 7.819 1.00 0.00 H new ATOM 0 HA THR A 109 -0.491 6.109 6.365 1.00 0.00 H new ATOM 0 HB THR A 109 0.363 8.886 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.593 9.221 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.919 9.060 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.956 7.768 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.219 7.360 5.070 1.00 0.00 H new ATOM 1723 N GLN A 110 2.376 6.933 4.931 1.00 0.00 N ATOM 1724 CA GLN A 110 3.312 6.504 3.903 1.00 0.00 C ATOM 1725 C GLN A 110 3.693 5.034 4.128 1.00 0.00 C ATOM 1726 O GLN A 110 3.655 4.245 3.185 1.00 0.00 O ATOM 1727 CB GLN A 110 4.537 7.439 3.895 1.00 0.00 C ATOM 1728 CG GLN A 110 5.232 7.522 2.527 1.00 0.00 C ATOM 1729 CD GLN A 110 5.825 6.192 2.055 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.724 5.636 2.679 1.00 0.00 O ATOM 1731 NE2 GLN A 110 5.336 5.653 0.948 1.00 0.00 N ATOM 0 H GLN A 110 2.720 7.695 5.515 1.00 0.00 H new ATOM 0 HA GLN A 110 2.848 6.569 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 110 4.224 8.439 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 110 5.255 7.092 4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 110 4.514 7.873 1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 110 6.027 8.266 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.589 6.124 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.707 4.767 0.606 1.00 0.00 H new ATOM 1740 N GLU A 111 4.012 4.645 5.365 1.00 0.00 N ATOM 1741 CA GLU A 111 4.426 3.285 5.688 1.00 0.00 C ATOM 1742 C GLU A 111 3.330 2.277 5.378 1.00 0.00 C ATOM 1743 O GLU A 111 3.634 1.240 4.801 1.00 0.00 O ATOM 1744 CB GLU A 111 4.848 3.175 7.160 1.00 0.00 C ATOM 1745 CG GLU A 111 6.277 3.685 7.380 1.00 0.00 C ATOM 1746 CD GLU A 111 7.381 2.694 6.955 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.127 1.718 6.215 1.00 0.00 O ATOM 1748 OE2 GLU A 111 8.543 2.863 7.391 1.00 0.00 O ATOM 0 H GLU A 111 3.989 5.270 6.171 1.00 0.00 H new ATOM 0 HA GLU A 111 5.285 3.051 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.158 3.747 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.779 2.136 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.407 4.614 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.406 3.923 8.436 1.00 0.00 H new ATOM 1755 N ALA A 112 2.065 2.569 5.693 1.00 0.00 N ATOM 1756 CA ALA A 112 0.959 1.677 5.365 1.00 0.00 C ATOM 1757 C ALA A 112 0.882 1.423 3.859 1.00 0.00 C ATOM 1758 O ALA A 112 0.636 0.294 3.437 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.354 2.285 5.854 1.00 0.00 C ATOM 0 H ALA A 112 1.785 3.422 6.177 1.00 0.00 H new ATOM 0 HA ALA A 112 1.130 0.722 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.179 1.616 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.310 2.425 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.511 3.249 5.370 1.00 0.00 H new ATOM 1765 N ILE A 113 1.089 2.461 3.048 1.00 0.00 N ATOM 1766 CA ILE A 113 1.000 2.362 1.597 1.00 0.00 C ATOM 1767 C ILE A 113 2.197 1.573 1.068 1.00 0.00 C ATOM 1768 O ILE A 113 2.006 0.616 0.321 1.00 0.00 O ATOM 1769 CB ILE A 113 0.890 3.782 1.011 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.478 4.371 1.415 1.00 0.00 C ATOM 1771 CG2 ILE A 113 1.061 3.812 -0.518 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.492 5.892 1.371 1.00 0.00 C ATOM 0 H ILE A 113 1.324 3.395 3.383 1.00 0.00 H new ATOM 0 HA ILE A 113 0.109 1.816 1.287 1.00 0.00 H new ATOM 0 HB ILE A 113 1.703 4.384 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.248 3.984 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.731 4.037 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.974 4.839 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.043 3.419 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.288 3.200 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.477 6.255 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.258 6.283 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.267 6.229 0.359 1.00 0.00 H new ATOM 1784 N ALA A 114 3.419 1.931 1.471 1.00 0.00 N ATOM 1785 CA ALA A 114 4.626 1.217 1.063 1.00 0.00 C ATOM 1786 C ALA A 114 4.544 -0.263 1.455 1.00 0.00 C ATOM 1787 O ALA A 114 4.852 -1.143 0.650 1.00 0.00 O ATOM 1788 CB ALA A 114 5.853 1.870 1.708 1.00 0.00 C ATOM 0 H ALA A 114 3.597 2.723 2.088 1.00 0.00 H new ATOM 0 HA ALA A 114 4.716 1.274 -0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.752 1.336 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.922 2.910 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.758 1.830 2.793 1.00 0.00 H new ATOM 1794 N ASP A 115 4.096 -0.530 2.680 1.00 0.00 N ATOM 1795 CA ASP A 115 3.952 -1.876 3.218 1.00 0.00 C ATOM 1796 C ASP A 115 2.903 -2.669 2.454 1.00 0.00 C ATOM 1797 O ASP A 115 3.156 -3.815 2.080 1.00 0.00 O ATOM 1798 CB ASP A 115 3.595 -1.820 4.702 1.00 0.00 C ATOM 1799 CG ASP A 115 3.437 -3.221 5.288 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.462 -3.839 5.648 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.289 -3.666 5.497 1.00 0.00 O ATOM 0 H ASP A 115 3.818 0.199 3.337 1.00 0.00 H new ATOM 0 HA ASP A 115 4.909 -2.386 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.372 -1.282 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.668 -1.261 4.834 1.00 0.00 H new ATOM 1806 N TRP A 116 1.758 -2.049 2.148 1.00 0.00 N ATOM 1807 CA TRP A 116 0.747 -2.668 1.312 1.00 0.00 C ATOM 1808 C TRP A 116 1.319 -2.982 -0.071 1.00 0.00 C ATOM 1809 O TRP A 116 1.052 -4.055 -0.599 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.495 -1.774 1.201 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.558 -2.353 0.319 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -1.928 -1.871 -0.889 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.302 -3.599 0.495 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.826 -2.735 -1.478 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.057 -3.843 -0.691 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.386 -4.569 1.518 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.811 -5.011 -0.872 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.168 -5.730 1.360 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.860 -5.964 0.158 1.00 0.00 C ATOM 0 H TRP A 116 1.516 -1.113 2.474 1.00 0.00 H new ATOM 0 HA TRP A 116 0.442 -3.605 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.907 -1.609 2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.200 -0.799 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.574 -0.949 -1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.265 -2.574 -2.384 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.841 -4.418 2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.349 -5.176 -1.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.237 -6.445 2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.427 -6.874 0.028 1.00 0.00 H new ATOM 1830 N LEU A 117 2.122 -2.087 -0.655 1.00 0.00 N ATOM 1831 CA LEU A 117 2.651 -2.270 -2.001 1.00 0.00 C ATOM 1832 C LEU A 117 3.631 -3.441 -2.058 1.00 0.00 C ATOM 1833 O LEU A 117 3.531 -4.242 -2.989 1.00 0.00 O ATOM 1834 CB LEU A 117 3.297 -0.971 -2.514 1.00 0.00 C ATOM 1835 CG LEU A 117 2.265 0.104 -2.916 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.956 1.465 -3.045 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.560 -0.236 -4.235 1.00 0.00 C ATOM 0 H LEU A 117 2.420 -1.221 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 117 1.818 -2.513 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.950 -0.567 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.926 -1.201 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 117 1.508 0.138 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.223 2.220 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.405 1.737 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.732 1.408 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.843 0.549 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.298 -0.312 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.037 -1.187 -4.133 1.00 0.00 H new ATOM 1849 N TYR A 118 4.545 -3.605 -1.091 1.00 0.00 N ATOM 1850 CA TYR A 118 5.408 -4.786 -1.118 1.00 0.00 C ATOM 1851 C TYR A 118 4.640 -6.052 -0.722 1.00 0.00 C ATOM 1852 O TYR A 118 4.904 -7.113 -1.286 1.00 0.00 O ATOM 1853 CB TYR A 118 6.756 -4.597 -0.398 1.00 0.00 C ATOM 1854 CG TYR A 118 6.796 -4.202 1.071 1.00 0.00 C ATOM 1855 CD1 TYR A 118 6.319 -5.076 2.068 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.427 -2.998 1.449 1.00 0.00 C ATOM 1857 CE1 TYR A 118 6.412 -4.717 3.425 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.549 -2.646 2.805 1.00 0.00 C ATOM 1859 CZ TYR A 118 7.017 -3.495 3.800 1.00 0.00 C ATOM 1860 OH TYR A 118 6.987 -3.087 5.098 1.00 0.00 O ATOM 0 H TYR A 118 4.700 -2.963 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 118 5.708 -4.931 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 118 7.307 -5.532 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.313 -3.840 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.881 -6.023 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.821 -2.340 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.020 -5.378 4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 118 8.048 -1.730 3.084 1.00 0.00 H new ATOM 0 HH TYR A 118 6.217 -3.490 5.550 1.00 0.00 H new ATOM 1870 N TRP A 119 3.635 -5.972 0.157 1.00 0.00 N ATOM 1871 CA TRP A 119 2.770 -7.109 0.448 1.00 0.00 C ATOM 1872 C TRP A 119 2.017 -7.545 -0.817 1.00 0.00 C ATOM 1873 O TRP A 119 1.916 -8.740 -1.093 1.00 0.00 O ATOM 1874 CB TRP A 119 1.826 -6.742 1.597 1.00 0.00 C ATOM 1875 CG TRP A 119 0.744 -7.731 1.886 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.498 -7.672 1.365 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.780 -8.946 2.696 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.257 -8.718 1.843 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.514 -9.551 2.658 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.779 -9.613 3.439 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.797 -10.756 3.323 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 1.509 -10.827 4.100 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.224 -11.398 4.045 1.00 0.00 C ATOM 0 H TRP A 119 3.404 -5.126 0.678 1.00 0.00 H new ATOM 0 HA TRP A 119 3.367 -7.964 0.766 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.419 -6.605 2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.364 -5.781 1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.846 -6.917 0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.243 -8.860 1.623 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.768 -9.184 3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.788 -11.184 3.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.293 -11.323 4.653 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.023 -12.328 4.557 1.00 0.00 H new ATOM 1894 N LEU A 120 1.564 -6.586 -1.630 1.00 0.00 N ATOM 1895 CA LEU A 120 0.932 -6.843 -2.916 1.00 0.00 C ATOM 1896 C LEU A 120 1.891 -7.637 -3.809 1.00 0.00 C ATOM 1897 O LEU A 120 1.492 -8.633 -4.412 1.00 0.00 O ATOM 1898 CB LEU A 120 0.553 -5.512 -3.593 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.523 -5.668 -4.681 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.919 -5.598 -4.053 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.379 -4.547 -5.717 1.00 0.00 C ATOM 0 H LEU A 120 1.630 -5.594 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 120 0.024 -7.426 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.195 -4.816 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.446 -5.070 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.394 -6.635 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.674 -5.709 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.030 -6.399 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.047 -4.635 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.143 -4.662 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.499 -3.581 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.608 -4.600 -6.176 1.00 0.00 H new ATOM 1913 N ALA A 121 3.166 -7.224 -3.855 1.00 0.00 N ATOM 1914 CA ALA A 121 4.198 -7.859 -4.669 1.00 0.00 C ATOM 1915 C ALA A 121 4.463 -9.317 -4.265 1.00 0.00 C ATOM 1916 O ALA A 121 4.854 -10.117 -5.116 1.00 0.00 O ATOM 1917 CB ALA A 121 5.495 -7.040 -4.607 1.00 0.00 C ATOM 0 H ALA A 121 3.508 -6.427 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 121 3.828 -7.882 -5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.259 -7.522 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.309 -6.035 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.839 -6.981 -3.574 1.00 0.00 H new ATOM 1923 N ARG A 122 4.234 -9.691 -2.997 1.00 0.00 N ATOM 1924 CA ARG A 122 4.359 -11.088 -2.547 1.00 0.00 C ATOM 1925 C ARG A 122 3.325 -12.004 -3.212 1.00 0.00 C ATOM 1926 O ARG A 122 3.497 -13.222 -3.175 1.00 0.00 O ATOM 1927 CB ARG A 122 4.216 -11.201 -1.016 1.00 0.00 C ATOM 1928 CG ARG A 122 5.301 -10.448 -0.254 1.00 0.00 C ATOM 1929 CD ARG A 122 5.000 -10.307 1.241 1.00 0.00 C ATOM 1930 NE ARG A 122 5.226 -11.551 2.000 1.00 0.00 N ATOM 1931 CZ ARG A 122 5.553 -11.616 3.300 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.731 -10.511 4.019 1.00 0.00 N ATOM 1933 NH2 ARG A 122 5.704 -12.793 3.891 1.00 0.00 N ATOM 0 H ARG A 122 3.959 -9.041 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 122 5.356 -11.413 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.240 -10.817 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.245 -12.253 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.251 -10.967 -0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.420 -9.456 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.624 -9.517 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.963 -9.995 1.368 1.00 0.00 H new ATOM 0 HE ARG A 122 5.126 -12.433 1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.619 -9.596 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.979 -10.579 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.572 -13.652 3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.953 -12.839 4.879 1.00 0.00 H new